Basic information
- CAS
2001-96-9- Standard SMILES
O=[N+]([O-])c1ccc(OC2OCC(O)C(O)C2O)cc1- InChIKey
MLJYKRYCCUGBBV-UHFFFAOYSA-N- Molecular formula
- C11H13NO7
- Average molar mass
- 271.22 g/mol
- Monoisotopic mass
- 271.06920175
Names & identifiers
- Preferred name
- 2-(4-Nitrophenoxy)oxane-3,4,5-triol
- IUPAC
- 2-(4-nitrophenoxy)oxane-3,4,5-triol
- English name
- 4-Nitrophenyl-beta-D-xylopyranoside
- Molecular formula
- C11H13NO7
- Molecular weight
- 271.23
Names & synonyms
MLS0031712704-Nitrophenyl b-D-arabinopyranoside2-(4-nitrophenoxy)oxane-3,4,5-triol4-Nitrophenyl-b-D-xylopyranosidep-nitrophenyl a-D-xylopyranoside4-Nitrophenyl ?-D-xylopyranoside78679-14-82-(4-nitrophenoxy)tetrahydropyran-3,4,5-triol(2S,3R,4S,5R)-2-(4-Nitrophenoxy)tetrahydropyran-3,4,5-triol(2S,3R,4S,5S)-2-(4-NITROPHENOXY)TETRAHYDROPYRAN-3,4,5-TRIOLSCHEMBL169865854-nitrophenyl-a-l-arabinopyranoside
Show more names
Xyl-b-PNPpnpxXYL1-B-PNPNSC 371094PNP-BETA-D-XYLpNP-β-D-XylopyranosidePNP BETA-D-XYLOPYRANOSIDEp-Nitrophenyl-β-D-xylosidep-Nitrophenyl β-D-xyloside4-NITROPHENYL XYLOPYRANOSIDE
MFCD00069787NSC371094AKOS030212770NSC-371094SB45397SB471794-Nitrophenyl-I(2)-L-arabinopyranosideLS-13955
Database identifiers
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 313
Physicochemical properties
- Melting point
- 160 °C · 160 °C
- Boiling point
- 523.2 · 523.2±50.0 °C(Predicted)
- Density
- 1.597 · 1.597±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- solubility
- 50 mg/mL, · methanol: 50 mg/mL, clear, faintly yellow
- pka
- 12.67 · 12.67±0.70(Predicted)
- form
- Solid
- color
- White to Pale Yellow
- Water Solubility
- 40 mg/mL · water: 40mg/mL
- BRN
- 90066 · 90066
- Stability
- Freezer
- InChI
- InChI=1/C11H13NO7/c13-8-5-18-11(10(15)9(8)14)19-7-3-1-6(2-4-7)12(16)17/h1-4,8-11,13-15H,5H2/t8-,9+,10-,11+/s3
- InChIKey
- MLJYKRYCCUGBBV-VIDHJGKANA-N
- SMILES
- O(C1C=CC(N(=O)=O)=CC=1)[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O |&1:10,13,15,17,r|
- CAS DataBase Reference
- 2001 · 2001-96-9(CAS DataBase Reference)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 3-10-21
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29400090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Usesfluorescent probe for thiols, glutathione transferase substrate, substrate for colorimetric assay of pullulanase
Usesp-Nitrophenyl β-D-Xylopyranoside (cas# 2001-96-9) is a compound useful in organic synthesis.
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕合生物化学技术有限公司13816464724 15900990114 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
上海如吉生物科技发展有限公司+86-21-65211385-8001 36031160 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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